Cas no 5805-30-1 (2-(2-phenylethyl)-1H-benzimidazole)
2-(2-phenylethyl)-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
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- 2-Phenethyl-1H-benzo[d]imidazole
- 2-(2-phenylethyl)-1H-benzimidazole
- 2-(2-phenylethyl)-1H-1,3-benzodiazole
- 2-(2-phenylethyl)benzimidazole
- 2-phenethyl-1H-benzimidazole
- 2-Phenethyl-1H-benzoimidazole
- AC1L6F0F
- Enamine_001443
- NSC155571
- SureCN784574
- SMR000289653
- NSC-155571
- BMLOBNVUJHKONU-UHFFFAOYSA-N
- HMS2616B07
- BDBM50240909
- 2-phenethylbenzimidazole
- CCG-24743
- AKOS000275127
- STK003937
- CS-0249645
- EN300-44225
- MLS000708886
- MFCD00717221
- CHEMBL171596
- 5805-30-1
- AB00097599-01
- BBL025838
- DTXSID40302979
- VS-08112
- G28888
- Cambridge id 5805726
- SCHEMBL784574
- Z55692915
- HMS1398B13
-
- MDL: MFCD00717221
- Inchi: 1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
- InChI Key: BMLOBNVUJHKONU-UHFFFAOYSA-N
- SMILES: N1C2C=CC=CC=2N=C1CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 222.11582
- Monoisotopic Mass: 222.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Color/Form: NA
- Density: 1.178
- Boiling Point: 454.8°C at 760 mmHg
- Flash Point: 247.8°C
- Refractive Index: 1.672
- PSA: 28.68
2-(2-phenylethyl)-1H-benzimidazole Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- HazardClass:IRRITANT
- Storage Condition:Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
2-(2-phenylethyl)-1H-benzimidazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM153225-5g |
2-(2-Phenylethyl)-1H-benzimidazole |
5805-30-1 | 95% | 5g |
$711 | 2021-06-09 | |
| Alichem | A069002781-5g |
2-Phenethyl-1H-benzo[d]imidazole |
5805-30-1 | 95% | 5g |
$782.80 | 2023-09-01 | |
| Fluorochem | 070229-1g |
2-(2-Phenylethyl)-1H-benzimidazole |
5805-30-1 | 95% | 1g |
£307.00 | 2022-03-01 | |
| Fluorochem | 070229-5g |
2-(2-Phenylethyl)-1H-benzimidazole |
5805-30-1 | 95% | 5g |
£1021.00 | 2022-03-01 | |
| TRC | B522090-5mg |
2-(2-phenylethyl)-1H-benzimidazole |
5805-30-1 | 5mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B522090-10mg |
2-(2-phenylethyl)-1H-benzimidazole |
5805-30-1 | 10mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B522090-50mg |
2-(2-phenylethyl)-1H-benzimidazole |
5805-30-1 | 50mg |
$ 95.00 | 2022-06-07 | ||
| abcr | AB410560-500 mg |
2-(2-Phenylethyl)-1H-benzimidazole |
5805-30-1 | 500MG |
€254.60 | 2023-02-03 | ||
| abcr | AB410560-1 g |
2-(2-Phenylethyl)-1H-benzimidazole |
5805-30-1 | 1g |
€322.50 | 2023-04-24 | ||
| abcr | AB410560-5 g |
2-(2-Phenylethyl)-1H-benzimidazole |
5805-30-1 | 5g |
€907.00 | 2023-04-24 |
2-(2-phenylethyl)-1H-benzimidazole Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Additional information on 2-(2-phenylethyl)-1H-benzimidazole
Comprehensive Overview of 2-(2-Phenylethyl)-1H-Benzimidazole (CAS No. 5805-30-1): Properties, Applications, and Industry Insights
2-(2-Phenylethyl)-1H-benzimidazole (CAS No. 5805-30-1) is a specialized organic compound belonging to the benzimidazole family, which has garnered significant attention in pharmaceutical, agrochemical, and materials science research. This heterocyclic compound features a phenylethyl substituent attached to the benzimidazole core, contributing to its unique physicochemical properties and versatility in applications. With a molecular formula of C15H14N2, it exhibits a molecular weight of 222.29 g/mol, making it a valuable intermediate in synthetic chemistry.
The growing interest in benzimidazole derivatives stems from their broad-spectrum biological activities, including antimicrobial, antifungal, and anti-inflammatory properties. Researchers frequently search for "benzimidazole-based drug discovery" or "phenylethyl-substituted heterocycles" to explore novel therapeutic agents. 2-(2-Phenylethyl)-1H-benzimidazole is particularly notable for its potential role in modulating enzyme pathways, a topic trending in precision medicine discussions. Its structural similarity to purine bases also makes it relevant in nucleic acid interactions, aligning with current interests in gene-targeted therapies.
In material science, this compound is investigated for its photostability and fluorescence properties, addressing the demand for advanced organic electronic materials. Searches like "benzimidazole in OLEDs" or "small-molecule semiconductors" highlight its industrial relevance. The compound’s thermal stability (decomposition temperature >250°C) further supports its use in high-performance coatings, a niche explored under keywords such as "heat-resistant polymers."
Synthetic routes to 2-(2-Phenylethyl)-1H-benzimidazole often involve condensation reactions between o-phenylenediamine and phenylethyl carboxylic acid derivatives, a process optimized for scalability. Analytical techniques like HPLC, NMR, and mass spectrometry ensure purity, critical for applications requiring high-grade intermediates. Recent patents emphasize its utility in "catalytic asymmetric synthesis," reflecting industry shifts toward green chemistry practices.
From a commercial perspective, suppliers and researchers prioritize "CAS 5805-30-1 sourcing" and "custom synthesis services," underscoring the compound’s niche market demand. Regulatory compliance, particularly REACH and FDA guidelines for pharmaceutical use, remains a key discussion point. Environmental considerations, such as biodegradability and eco-friendly synthesis, align with global sustainability goals, frequently searched as "green heterocyclic chemistry."
Future research directions for 2-(2-Phenylethyl)-1H-benzimidazole may explore its structure-activity relationships (SAR) in drug design or its integration into hybrid nanomaterials. As the scientific community increasingly focuses on "multi-target therapeutics" and "smart materials," this compound’s adaptability positions it as a promising candidate for interdisciplinary innovation.
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